1-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]-1-(2-sulfanylethyl)urea

Systemtic Name: 1-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]-1-(2-sulfanylethyl)urea Openeye Name: 1-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-1-(2-sulfanylethyl)urea CAS Name: 1-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)-1-(2-mercaptoethyl)urea IUPAC Name: 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-1-(2-sulfanylethyl)urea Traditional Name: 1-(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl)-1-(2-mercaptoethyl)urea Formula: C23H18N2O6S MolecularWeight: 450.46382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCS)C(=O)N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Isomeric SMILES

C1=CC2=C(C=C1N(CCS)C(=O)N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/C23H18N2O6S/c24-22(29)25(7-8-32)12-1-4-16-15(9-12)21(28)31-23(16)17-5-2-13(26)10-19(17)30-20-11-14(27)3-6-18(20)23/h1-6,9-11,26-27,32H,7-8H2,(H2,24,29)